CHEMBL4059807


SMILES CNC(=O)[C@H]1[Se][C@@H](n2cnc3c(NCc4ccccc4OC)ncnc32)[C@H](O)[C@@H]1O
InChIKey DMJZERIZAOVMHE-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 478.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 8.43 8.43 8.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.9 5.9 5.9 ChEMBL
A1 AA1R Human Adenosine A pKi 5.73 5.73 5.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database